⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL461903 | 0.80 | — | — | |
| SCHEMBL31173909 | 0.68 | ZDHHC20 (0.54) | — | |
| SCHEMBL6756951 | 0.67 | — | — | |
| SCHEMBL2285647 | 0.67 | — | — | |
| SCHEMBL11499849 | 0.67 | — | — | |
| SCHEMBL15343550 | 0.67 | — | — | |
| SCHEMBL28498214 | 0.65 | — | — | |
| SCHEMBL14484194 | 0.64 | — | — | |
| SCHEMBL23049119 | 0.62 | — | — | |
| SCHEMBL1241816 | 0.60 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160193566-A1 | REVERSIBLE AND IRREVERSIBLE CHEMISORPTION IN NONPOROUS, CRYSTALLINE HYBRID STRUCTURES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2016-07-07 | — | — | US | disclosed |